Structure of PDB 5rvy Chain B Binding Site BS04

Receptor Information
>5rvy Chain B (length=867) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPPVDHGLARLVTVYCEHGHKAAKINPLFTGQALLENVPEIQALVQTLQG
PFHTAGLLNMGKEEASLEEVLVYLNQIYCGQISIETSQLQSQDEKDWFAK
RFEELQKETFTTEERKHLSKLMLESQEFDHFLATKFSTVKRYGGEGAESM
MGFFHELLKMSAYSGITDVIIGMPHRGRLNLLTGLLQFPPELMFRKMRGL
SEFPENFSATGDVLSHLTSSVDLYFGAHHPLHVTMLPNPSHLEAVNPVAV
GKTRGRQQSRQDGDYSPDNSAQPGDRVICLQVHGDASFCGQGIVPETFTL
SNLPHFRIGGSVHLIVNNQLGYTTPAERGRSSLYCSDIGKLVGCAIIHVN
GDSPEEVVRATRLAFEYQRQFRKDVIIDLLCYRQWGHNELDEPFYTNPIM
YKIIRARKSIPDTYAEHLIAGGLMTQEEVSEIKSSYYAKLNDHLNNMAHY
RPPQAHWQGLAQPEAQITTWSTGVPLDLLRFVGMKSVEVPRELQMHSHLL
KTHVQSRMEKMMDGIKLDWATAEALALGSLLAQGFNVRLSGQDVGRGTFS
QRHAIVVCQETDDTYIPLNHMDPNQKGFLEVSNSPLSEEAVLGFEYGMSI
ESPKLLPLWEAQFGDFFNGAQIIFDTFISGGEAKWLLQSGIVILLPHGYD
GAGPDHSSCRIERFLQMCDSAEEGVDGDTVNMFVVHPTTPAQYFHLLRRQ
MVRNFRKPLIVASPKMLLRLPAAVSTLQEMAPGTTFNPVIGDSSVDPKKV
KTLVFCSGKHFYSLVKQRESLGAKKHDFAIIRVEELCPFPLDSLQQEMSK
YKHVKDHIWSQEEPQNMGPWSFVSPRFEKQLACKLRLVGRPPLPVPAVGI
GTVHLHQHEDILAKTFA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5rvy Chain B Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5rvy PanDDA analysis group deposition
Resolution1.609 Å
Binding residue
(original residue number in PDB)		D333 N366 L368
Binding residue
(residue number reindexed from 1)		D285 N318 L320
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.4.-
Gene Ontology
Molecular Function
GO:0004591 oxoglutarate dehydrogenase (succinyl-transferring) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016624 oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
GO:0030976 thiamine pyrophosphate binding
GO:0160166 2-oxoadipate dehydrogenase activity
Biological Process
GO:0002244 hematopoietic progenitor cell differentiation
GO:0006091 generation of precursor metabolites and energy
GO:0006096 glycolytic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0160167 oxoadipate dehydrogenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5rvy, PDBe:5rvy, PDBj:5rvy
PDBsum5rvy
PubMed
UniProtQ96HY7|DHTK1_HUMAN 2-oxoadipate dehydrogenase complex component E1 (Gene Name=DHTKD1)

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